4,7-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;5,6-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;(6E)-6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione

C₁₆₇H₁₂₁F₄N₇O₈S₄ — CID 159283353

About 4,7-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;5,6-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;(6E)-6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione

4,7-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;5,6-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;(6E)-6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione (PubChem CID 159283353) has the molecular formula C₁₆₇H₁₂₁F₄N₇O₈S₄ and a molecular weight of 2558.11 g/mol. Its IUPAC name is 4,7-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;5,6-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;(6E)-6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione.

Molecular Properties

• Compound Name: 4,7-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;5,6-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;(6E)-6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione
• PubChem CID: 159283353
• Molecular Formula: C₁₆₇H₁₂₁F₄N₇O₈S₄
• Molecular Weight: 2558.11 g/mol
• Exact Mass: 2555.81
• IUPAC Name: 4,7-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;5,6-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;(6E)-6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione
• SMILES: Cc1cc(C)c(-c2ccc3c(c2)C(C)(C)c2cc(/C=C4\C(=O)c5cccnc5C4=O)sc2N3c2cccc3ccccc23)c(C)c1.Cc1cc(C)c(-c2ccc3c(c2)C(C)(C)c2cc(C=C4C(=O)c5nccnc5C4=O)sc2N3c2cccc3ccccc23)c(C)c1.Cc1cc(C)c(N2c3ccc(C)cc3C3(c4ccccc4-c4ccccc43)c3cc(C=C4C(=O)c5c(F)ccc(F)c5C4=O)sc32)c(C)c1.Cc1cc(C)c(N2c3ccc(C)cc3C3(c4ccccc4-c4ccccc43)c3cc(C=C4C(=O)c5cc(F)c(F)cc5C4=O)sc32)c(C)c1
• InChI: InChI=1S/2C43H29F2NO2S.C41H32N2O2S.C40H31N3O2S/c1-22-13-16-36-32(19-22)43(30-11-7-5-9-27(30)28-10-6-8-12-31(28)43)33-21-26(49-42(33)46(36)39-24(3)17-23(2)18-25(39)4)20-29-40(47)37-34(44)14-15-35(45)38(37)41(29)48;1-22-13-14-38-34(17-22)43(32-11-7-5-9-27(32)28-10-6-8-12-33(28)43)35-19-26(49-42(35)46(38)39-24(3)15-23(2)16-25(39)4)18-31-40(47)29-20-36(44)37(45)21-30(29)41(31)48;1-23-18-24(2)36(25(3)19-23)27-15-16-35-32(20-27)41(4,5)33-22-28(21-31-38(44)30-13-9-17-42-37(30)39(31)45)46-40(33)43(35)34-14-8-11-26-10-6-7-12-29(26)34;1-22-17-23(2)34(24(3)18-22)26-13-14-33-30(19-26)40(4,5)31-21-27(20-29-37(44)35-36(38(29)45)42-16-15-41-35)46-39(31)43(33)32-12-8-10-25-9-6-7-11-28(25)32/h2*5-21H,1-4H3;6-22H,1-5H3;6-21H,1-5H3/b;;31-21+
• InChIKey: KZEUCVVEHOCPOB-FQPCPCOUSA-N
• XLogP: 42.05
• TPSA: 188.19 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2558.11
LogP ≤ 5	42.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,7-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;5,6-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;(6E)-6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione?

The IUPAC name of 4,7-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;5,6-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;(6E)-6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione (CID 159283353) is 4,7-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;5,6-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;(6E)-6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione.

What is the SMILES notation for 4,7-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;5,6-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;(6E)-6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione?

The canonical SMILES for 4,7-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;5,6-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;(6E)-6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione is Cc1cc(C)c(-c2ccc3c(c2)C(C)(C)c2cc(/C=C4\C(=O)c5cccnc5C4=O)sc2N3c2cccc3ccccc23)c(C)c1.Cc1cc(C)c(-c2ccc3c(c2)C(C)(C)c2cc(C=C4C(=O)c5nccnc5C4=O)sc2N3c2cccc3ccccc23)c(C)c1.Cc1cc(C)c(N2c3ccc(C)cc3C3(c4ccccc4-c4ccccc43)c3cc(C=C4C(=O)c5c(F)ccc(F)c5C4=O)sc32)c(C)c1.Cc1cc(C)c(N2c3ccc(C)cc3C3(c4ccccc4-c4ccccc43)c3cc(C=C4C(=O)c5cc(F)c(F)cc5C4=O)sc32)c(C)c1.

What is the InChIKey of 4,7-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;5,6-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;(6E)-6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione?

The InChIKey is KZEUCVVEHOCPOB-FQPCPCOUSA-N. The full InChI is InChI=1S/2C43H29F2NO2S.C41H32N2O2S.C40H31N3O2S/c1-22-13-16-36-32(19-22)43(30-11-7-5-9-27(30)28-10-6-8-12-31(28)43)33-21-26(49-42(33)46(36)39-24(3)17-23(2)18-25(39)4)20-29-40(47)37-34(44)14-15-35(45)38(37)41(29)48;1-22-13-14-38-34(17-22)43(32-11-7-5-9-27(32)28-10-6-8-12-33(28)43)35-19-26(49-42(35)46(38)39-24(3)15-23(2)16-25(39)4)18-31-40(47)29-20-36(44)37(45)21-30(29)41(31)48;1-23-18-24(2)36(25(3)19-23)27-15-16-35-32(20-27)41(4,5)33-22-28(21-31-38(44)30-13-9-17-42-37(30)39(31)45)46-40(33)43(35)34-14-8-11-26-10-6-7-12-29(26)34;1-22-17-23(2)34(24(3)18-22)26-13-14-33-30(19-26)40(4,5)31-21-27(20-29-37(44)35-36(38(29)45)42-16-15-41-35)46-39(31)43(33)32-12-8-10-25-9-6-7-11-28(25)32/h2*5-21H,1-4H3;6-22H,1-5H3;6-21H,1-5H3/b;;31-21+;.

What are the key properties of 4,7-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;5,6-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;(6E)-6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione?

4,7-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;5,6-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;(6E)-6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione has a molecular weight of 2558.11 g/mol, XLogP of 42.05, 10 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4,7-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;5,6-difluoro-2-[[6'-methyl-9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;(6E)-6-[[4,4-dimethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b]quinolin-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione is sourced from PubChem (CID 159283353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159283353 — identifiers, structure, computed properties (public domain)

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